(2-fluorophenyl)-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-fluorophenyl)-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone CAS Name: (2-fluorophenyl)-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-fluorophenyl)-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(3-benzoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone Formula: C26H28FN2O3+ MolecularWeight: 435.510523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27FN2O3/c1-31-24-12-11-21(17-25(24)32-19-20-7-3-2-4-8-20)18-28-13-15-29(16-14-28)26(30)22-9-5-6-10-23(22)27/h2-12,17H,13-16,18-19H2,1H3/p+1